Sugi Predict

Sugi Predict / Compounds / SCHEMBL9681138

SCHEMBL9681138

SCHEMBL9681138

CCOC(=O)c1ccc(C(NCC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ TDP1 Q9NUW8 1/20 0.47
▸ CASR P41180 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9680654 0.87 KMT2A (0.56) MEN1KMT2ATDP1
SCHEMBL9679362 0.86 KMT2A (0.63) MEN1KMT2ATDP1
SCHEMBL9678777 0.85 TDP1 (0.57) MEN1KMT2ATDP1NLRP3
SCHEMBL9678931 0.83 KMT2A (0.57) MEN1KMT2ATDP1
SCHEMBL9680704 0.82 KMT2A (0.72) MEN1KMT2ATDP1
SCHEMBL9678946 0.82 KMT2A (0.56) MEN1KMT2ATDP1
SCHEMBL9680214 0.82 KMT2A (0.56) MEN1KMT2ATDP1
SCHEMBL9679584 0.82 KMT2A (0.51) MEN1KMT2ATDP1CASR
SCHEMBL9678843 0.81 TDP1 (0.58) MEN1KMT2ATDP1NLRP3
SCHEMBL9681131 0.81 KMT2A (0.57) MEN1KMT2ATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 — — EP claimed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 — — US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 — — EP disclosed